Investigating Magainin through Computational Molecular Modeling

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dc.contributor.advisorKlauda, Jeffery
dc.contributor.authorHoloman, Tyla
dc.date.accessioned2020-04-27T01:18:18Z
dc.date.available2020-04-27T01:18:18Z
dc.date.issued2020
dc.description.abstractMagainin is a 23-residue, helical, antimicrobial peptide found in the skin of the Xenopus laevis, also known as the African Clawed Frog. Magainin is important because it can disrupt electrochemical gradients in the cell membranes of many bacteria, tumors, and fungi, which is extremely useful in pharmaceuticals for killing these organisms. Understanding how Magainin interacts with cell membranes is an important part of understanding how it could work medicinally, and one of the best ways to understand these reactions is through computational protein modeling. Ten membrane protein systems containing Magainin and a membrane bilayer were constructed to analyze Magainin’s behavior and interactions with a model for the outer skin membrane. These systems were simulated by a supercomputer for about 300 ns each to allow the peptide to fully interact with the membrane bilayer. Now that the simulations have been completed, they are being analyzed to determine exactly what patterns of behavior were exhibited by Magainin when placed near a model skin membrane.en_US
dc.description.sponsorshipNSF LSAMPen_US
dc.identifierhttps://doi.org/10.13016/vhcr-lyld
dc.identifier.urihttp://hdl.handle.net/1903/25908
dc.language.isoen_USen_US
dc.relation.isAvailableAtMaryland Center for Undergraduate Research
dc.relation.isAvailableAtDigital Repository at the University of Maryland
dc.relation.isAvailableAtUniversity of Maryland (College Park, Md)
dc.subjectChemical Engineeringen_US
dc.subjectLSAMPen_US
dc.subjectHolomanen_US
dc.subjectENGRen_US
dc.subjectmolecular modelingen_US
dc.subjectsimulationen_US
dc.subjectproteinen_US
dc.titleInvestigating Magainin through Computational Molecular Modelingen_US
dc.typePresentationen_US

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